2-(dichloroamino)-2-methylpropane-1-sulfonic acid

C4H9Cl2NO3S — CID 11708365

IUPAC2-(dichloroamino)-2-methylpropane-1-sulfonic acid
SMILESCC(C)(CS(=O)(=O)O)N(Cl)Cl
InChIInChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)
InChIKeyQYNRGGHZWCUZLK-UHFFFAOYSA-N
MW222.09 g/mol
LogP1.26
Rot. Bonds3

About 2-(dichloroamino)-2-methylpropane-1-sulfonic acid

2-(dichloroamino)-2-methylpropane-1-sulfonic acid (PubChem CID 11708365) has the molecular formula C4H9Cl2NO3S and a molecular weight of 222.09 g/mol. Its IUPAC name is 2-(dichloroamino)-2-methylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-(dichloroamino)-2-methylpropane-1-sulfonic acid
PubChem CID11708365
Molecular FormulaC4H9Cl2NO3S
Molecular Weight222.09 g/mol
Exact Mass220.97
IUPAC Name2-(dichloroamino)-2-methylpropane-1-sulfonic acid
SMILESCC(C)(CS(=O)(=O)O)N(Cl)Cl
InChIInChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)
InChIKeyQYNRGGHZWCUZLK-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
CID 173043495
2-(dichloroamino)-2-methylpropane-1-sulfonic acid;2-(dichloroamino)propane-1-sulfonic acid
CID 87370884
2-[bromo(chloro)amino]-2-methylpropane-1-sulfonic acid
CID 44814599
2-(diiodoamino)-2-methylpropane-1-sulfonic acid
CID 138539533
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
8-[3-(dichloroamino)-3-methylbutyl]sulfonyloctane-1-sulfonic acid
CID 54584529
2-[[3-(dichloroamino)-3-methylbutanoyl]-methylamino]ethanesulfonic acid
CID 45268019
3-[chloro(methyl)amino]-3-methylbutane-1-sulfonic acid
CID 25054883
2-[2-(dichloroamino)-2-methylpropyl]sulfonylethyl-trimethylazanium chloride
CID 46199918
3-methoxy-2,2-dimethyl-3-oxopropane-1-sulfonic acid
CID 117059672
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946

Frequently Asked Questions

What is the IUPAC name of 2-(dichloroamino)-2-methylpropane-1-sulfonic acid?
The IUPAC name of 2-(dichloroamino)-2-methylpropane-1-sulfonic acid (CID 11708365) is 2-(dichloroamino)-2-methylpropane-1-sulfonic acid.
What is the SMILES notation for 2-(dichloroamino)-2-methylpropane-1-sulfonic acid?
The canonical SMILES for 2-(dichloroamino)-2-methylpropane-1-sulfonic acid is CC(C)(CS(=O)(=O)O)N(Cl)Cl.
What is the InChIKey of 2-(dichloroamino)-2-methylpropane-1-sulfonic acid?
The InChIKey is QYNRGGHZWCUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-(dichloroamino)-2-methylpropane-1-sulfonic acid?
2-(dichloroamino)-2-methylpropane-1-sulfonic acid has a molecular weight of 222.09 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloroamino)-2-methylpropane-1-sulfonic acid is sourced from PubChem (CID 11708365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).